SCHEMBL1049948

SCHEMBL1049948

C=CC(O)ON

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5476415 0.72
SCHEMBL30800 0.72
Ammonia Solution, Strong SCHEMBL10428699 0.69
SCHEMBL6265101 0.69
SCHEMBL5453476 0.67
SCHEMBL2018539 0.67
SCHEMBL18634773 0.67
SCHEMBL7183414 0.67
SCHEMBL83256 0.67
SCHEMBL538268 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 US claimed
EP-0604641-B1 USE OF A COMBINATION CONTAINING AN AMINE OR AMINE-RELATED DERIVATIVE OF BENZOIC ACID AND AN AMINO-POLYSACCHARIDE IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 2002-03-20 EP claimed
EP-0707446-A4 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2001-01-10 EP claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
JP-H08512055-A 1996-12-17 JP claimed
EP-0707446-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1996-04-24 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
EP-0604641-A4 COMPOSITION CONTAINING AMINE AND AMINE-RELATED DERIVATIVES OF BENZOIC ACID AND USES THEREFOR INCLUDING TREATING INFLAMMATORY DISEASES. SHAPIRO HOWARD K (US) 1995-08-02 EP claimed
EP-0572560-A4 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY. SHAPIRO HOWARD K (US) 1995-04-26 EP claimed
WO-1995001096-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1995-01-12 WO claimed
EP-0604641-A1 COMPOSITION CONTAINING AMINE AND AMINE-RELATED DERIVATIVES OF BENZOIC ACID AND USES THEREFOR INCLUDING TREATING INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1994-07-06 EP claimed
WO-1994000135-A1 COMPOSITION CONTAINING AMINE AND AMINE-RELATED DERIVATIVES OF BENZOIC ACID AND USES THEREFOR INCLUDING TREATING INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1994-01-06 WO claimed
EP-0572560-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1993-12-08 EP claimed
US-4786530-A Finishing size composition and method for making and using same PENICK & FORD, LIMITED (US) 1988-11-22 US claimed
US-4112050-A Process for removing carbon dioxide containing acidic gases from gaseous mixtures using a basic salt activated with a hindered amine EXXON RESEARCH & ENGINEERING CO. (US) 1978-09-05 US claimed
EP-2217714-B1 SEQUESTRATION OF FORMALDEHYDE TO STABILIZE NITRILASE SPECIFIC ACTIVITY WHEN CONVERTING GLYCOLONITRILE TO GLYCOLIC ACID DU PONT (US) 2015-12-02 EP disclosed
US-7927847-B2 Process for enzymatically converting glycolonitrile to glycolic acid E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-19 US disclosed
EP-0572560-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1993-12-08 EP disclosed
WO-1992014456-A1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1992-09-03 WO disclosed